SCHEMBL4728124

SCHEMBL4728124

CCOC(=O)C(=O)C1CSc2ccc(Cl)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.36
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25883876 0.91 LMNA (0.41) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL30308402 0.91 LMNA (0.41) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL11338074 0.86 KDM4E (0.47) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL13214 0.86 KDM4E (0.44) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL9522559 0.85 KDM4E (0.44) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL14714 0.85 PPARG (0.41) KDM4ESMN1; SMN2KMT2AGAAHPGD
SCHEMBL7554 0.83 ALDH1A1 (0.41) KDM4ENPSR1KMT2AGAAHPGD
SCHEMBL30460538 0.83 ALDH1A1 (0.41) KDM4ENPSR1KMT2AGAAHPGD
SCHEMBL24189203 0.81 KDM4E (0.41) KDM4ESMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL30308393 0.81 KDM4E (0.41) KDM4ESMN1; SMN2NPSR1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed